N,2-dimethyl-4-propylheptan-1-amine

C12H27N — CID 142144004

IUPACN,2-dimethyl-4-propylheptan-1-amine
SMILESCCCC(CCC)CC(C)CNC
InChIInChI=1S/C12H27N/c1-5-7-12(8-6-2)9-11(3)10-13-4/h11-13H,5-10H2,1-4H3
InChIKeyXBGJCPBXTQWIIR-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.45
Rot. Bonds8

About N,2-dimethyl-4-propylheptan-1-amine

N,2-dimethyl-4-propylheptan-1-amine (PubChem CID 142144004) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is N,2-dimethyl-4-propylheptan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-propylheptan-1-amine
PubChem CID142144004
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC NameN,2-dimethyl-4-propylheptan-1-amine
SMILESCCCC(CCC)CC(C)CNC
InChIInChI=1S/C12H27N/c1-5-7-12(8-6-2)9-11(3)10-13-4/h11-13H,5-10H2,1-4H3
InChIKeyXBGJCPBXTQWIIR-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
2,4-dimethyl-6-propylnonane
CID 57492214
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
N-methyl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62528925
6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
6-methyl-8-propylpentadecane
CID 90954253
2,4-dimethyl-1-(methylamino)heptan-3-one
CID 107890170
N,N',2-trimethylbutane-1,4-diamine
CID 118562812

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-propylheptan-1-amine?
The IUPAC name of N,2-dimethyl-4-propylheptan-1-amine (CID 142144004) is N,2-dimethyl-4-propylheptan-1-amine.
What is the SMILES notation for N,2-dimethyl-4-propylheptan-1-amine?
The canonical SMILES for N,2-dimethyl-4-propylheptan-1-amine is CCCC(CCC)CC(C)CNC.
What is the InChIKey of N,2-dimethyl-4-propylheptan-1-amine?
The InChIKey is XBGJCPBXTQWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-7-12(8-6-2)9-11(3)10-13-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-4-propylheptan-1-amine?
N,2-dimethyl-4-propylheptan-1-amine has a molecular weight of 185.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-propylheptan-1-amine is sourced from PubChem (CID 142144004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).